benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate

C19H21NO3 — CID 10859893

IUPACbenzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCN1O[C@@](C)(c2ccccc2)C[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-19(16-11-7-4-8-12-16)13-17(20(2)23-19)18(21)22-14-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17-,19-/m1/s1
InChIKeyAYXUVIFJVSFLMD-IEBWSBKVSA-N
MW311.38 g/mol
LogP3.28
Rot. Bonds4

About benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate

benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate (PubChem CID 10859893) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
PubChem CID10859893
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCN1O[C@@](C)(c2ccccc2)C[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-19(16-11-7-4-8-12-16)13-17(20(2)23-19)18(21)22-14-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17-,19-/m1/s1
InChIKeyAYXUVIFJVSFLMD-IEBWSBKVSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate (CID 10859893) is benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate is CN1O[C@@](C)(c2ccccc2)C[C@@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is AYXUVIFJVSFLMD-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(16-11-7-4-8-12-16)13-17(20(2)23-19)18(21)22-14-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10859893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).